General Information of the Compound
| Compound ID |
CP0700454
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| Compound Name |
SID24821451
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| Structure |
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| Formula |
C15H11N3O4
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| Molecular Weight |
297.27
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| Canonical SMILES |
N#CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1
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| InChI |
InChI=1S/C15H11N3O4/c16-10-9-11-1-3-12(4-2-11)17-14(19)7-5-13-6-8-15(22-13)18(20)21/h1-8H,9H2,(H,17,19)/b7-5+
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| InChIKey |
ZXLYBZWZYMPBQU-FNORWQNLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06172, Mothers against decapentaplegic homolog 3